4-N-ethyl-2-methyl-4-N-phenyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine

C21H24N4 — CID 112872102

IUPAC4-N-ethyl-2-methyl-4-N-phenyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine
SMILESCCN(c1ccccc1)c1cc(NC(C)c2ccccc2)nc(C)n1
InChIInChI=1S/C21H24N4/c1-4-25(19-13-9-6-10-14-19)21-15-20(23-17(3)24-21)22-16(2)18-11-7-5-8-12-18/h5-16H,4H2,1-3H3,(H,22,23,24)
InChIKeyMQYXSFVKWIRWBK-UHFFFAOYSA-N
MW332.45 g/mol
LogP5.12
Rot. Bonds6

About 4-N-ethyl-2-methyl-4-N-phenyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine

4-N-ethyl-2-methyl-4-N-phenyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine (PubChem CID 112872102) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-N-ethyl-2-methyl-4-N-phenyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-methyl-4-N-phenyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine
PubChem CID112872102
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name4-N-ethyl-2-methyl-4-N-phenyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine
SMILESCCN(c1ccccc1)c1cc(NC(C)c2ccccc2)nc(C)n1
InChIInChI=1S/C21H24N4/c1-4-25(19-13-9-6-10-14-19)21-15-20(23-17(3)24-21)22-16(2)18-11-7-5-8-12-18/h5-16H,4H2,1-3H3,(H,22,23,24)
InChIKeyMQYXSFVKWIRWBK-UHFFFAOYSA-N
XLogP5.12
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-ethyl-2-methyl-4-N-phenyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-butyl-4-N,2-dimethyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872081
6-N-[2-(dimethylamino)ethyl]-4-N-ethyl-2-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112870268
2-methyl-4-N-(1-phenylethyl)-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112867661
4-N-ethyl-2-methyl-6-N-(3-methylphenyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112877026
4-N-tert-butyl-2-methyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872076
2-N-butan-2-yl-4-N-ethyl-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112909138
2-methyl-N-phenyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109369164
4-N,6-N-diethyl-4-N-phenyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80948063
6-N-cycloheptyl-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872077
2-N,6-dimethyl-2-N-phenyl-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112916665
6-N-(4-bromophenyl)-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872117
6-N-(2-fluorophenyl)-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872105

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-methyl-4-N-phenyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-ethyl-2-methyl-4-N-phenyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine (CID 112872102) is 4-N-ethyl-2-methyl-4-N-phenyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-ethyl-2-methyl-4-N-phenyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-ethyl-2-methyl-4-N-phenyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine is CCN(c1ccccc1)c1cc(NC(C)c2ccccc2)nc(C)n1.
What is the InChIKey of 4-N-ethyl-2-methyl-4-N-phenyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine?
The InChIKey is MQYXSFVKWIRWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-4-25(19-13-9-6-10-14-19)21-15-20(23-17(3)24-21)22-16(2)18-11-7-5-8-12-18/h5-16H,4H2,1-3H3,(H,22,23,24).
What are the key properties of 4-N-ethyl-2-methyl-4-N-phenyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine?
4-N-ethyl-2-methyl-4-N-phenyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine has a molecular weight of 332.45 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-methyl-4-N-phenyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112872102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).